Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational298.43kJ mol-1
Total (Trans. + Rot. + Vib.)308.34kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational99.63J mol-1 K-1
Total (Trans. + Rot. + Vib.)132.89J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.93J mol-1 K-1
Rotational121.43J mol-1 K-1
Vibrational64.91J mol-1 K-1
Total (Trans. + Rot. + Vib.)356.27J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation233.99kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 150.93 cm-1 View
  • 2 201.38 cm-1 View
  • 3 255.47 cm-1 View
  • 4 279.25 cm-1 View
  • 5 331.36 cm-1 View
  • 6 385.22 cm-1 View
  • 7 492.55 cm-1 View
  • 8 497.00 cm-1 View
  • 9 504.27 cm-1 View
  • 10 559.68 cm-1 View
  • 11 601.57 cm-1 View
  • 12 603.14 cm-1 View
  • 13 718.55 cm-1 View
  • 14 757.95 cm-1 View
  • 15 795.37 cm-1 View
  • 16 827.56 cm-1 View
  • 17 855.78 cm-1 View
  • 18 895.52 cm-1 View
  • 19 916.79 cm-1 View
  • 20 1005.96 cm-1 View
  • 21 1050.53 cm-1 View
  • 22 1078.53 cm-1 View
  • 23 1159.69 cm-1 View
  • 24 1193.22 cm-1 View
  • 25 1277.54 cm-1 View
  • 26 1344.14 cm-1 View
  • 27 1388.54 cm-1 View
  • 28 1420.12 cm-1 View
  • 29 1495.10 cm-1 View
  • 30 1570.70 cm-1 View
  • 31 1589.65 cm-1 View
  • 32 1662.88 cm-1 View
  • 33 1710.17 cm-1 View
  • 34 1765.71 cm-1 View
  • 35 2988.63 cm-1 View
  • 36 3055.28 cm-1 View
  • 37 3439.84 cm-1 View
  • 38 3461.40 cm-1 View
  • 39 3537.54 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-31.66kJ mol-1
Polar Solvation Energy-40.60kJ mol-1
Nonpolar Solvation Energy8.95kJ mol-1
Surface Area117.42Å2
Charge of Molecule0
Dipole3.44Debye